MMsINC Database Search


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MMsINC code: MMs01972966

Type: Neutral
Formula: C₁₄H₁₄FNO₂S

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1ccccc1F

InChI:

InChI=1/C14H14FNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9023 kcal/mol

Physical Properties
Molecular Weight: 279.335 g/mol	logS: -3.34721	SlogP: 2.34667	Reactive groups: 0

Topological Properties
Globularity: 0.0858456	Sterimol/B1: 3.16412	Sterimol/B2: 3.45219	Sterimol/B3: 3.73549
Sterimol/B4: 6.05315	Sterimol/L: 14.2769

Surface and Volume Properties
Accessible surface: 492.859	Positive charged surface: 245.103	Negative charged surface: 247.756	Volume: 250.5
Hydrophobic surface: 409.507	Hydrophilic surface: 83.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.